SCHEMBL11790040

SCHEMBL11790040

O=C(C(=O)N1CCC(c2ccc(F)cc2)CC1)c1c[nH]c2ccccc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.62
▸ LMNA P02545 2/20 0.60
▸ KDM4E B2RXH2 1/20 0.60
▸ ALDH1A1 P00352 1/20 0.60
▸ GABRA1 P14867 5/20 0.56
▸ GABRG2 P18507 5/20 0.56
▸ GABRB3 P28472 5/20 0.56
▸ GABRA3 P34903 5/20 0.56
▸ GABRA2 P47869 5/20 0.56
▸ GABRB2 P47870 5/20 0.56
▸ RAB9A P51151 1/20 0.53
▸ MAPT P10636 2/20 0.52
▸ MEN1 O00255 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ AVPR1A P37288 1/20 0.49
▸ GABRP O00591 1/20 0.49
▸ GABRD O14764 1/20 0.49
▸ GABRB1 P18505 1/20 0.49
▸ GABRA5 P31644 1/20 0.49
▸ GABRA4 P48169 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11786507 0.91 POLB (0.68) POLBLMNAKDM4EALDH1A1GABRA1
SCHEMBL11739805 0.84 POLB (0.60) POLBLMNAKDM4EALDH1A1GABRA1
SCHEMBL11314928 0.83 KMT2A (0.50) POLBLMNAKDM4EALDH1A1RAB9A
SCHEMBL11784754 0.78 AVPR1A (0.67) POLBLMNAKDM4EALDH1A1GABRA1
SCHEMBL13116826 0.78 POLB (0.67) POLBLMNAKDM4EALDH1A1GABRA1
SCHEMBL3849918 0.78 POLB (1.00) POLBLMNAKDM4EALDH1A1GABRA1
SCHEMBL11732042 0.77 GABRA1 (0.56) POLBLMNAKDM4EALDH1A1GABRA1
SCHEMBL30515255 0.77 POLB (0.66) POLBLMNAKDM4EALDH1A1GABRA1
SCHEMBL11767169 0.77 POLB (0.66) POLBLMNAKDM4EALDH1A1GABRA1
SCHEMBL11738779 0.77 POLB (0.65) POLBLMNAKDM4EALDH1A1GABRA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE28973-E PARKINSON'S DISEASE A. H. ROBINS COMPANY, INCORPORATED (US) 1976-09-21 — — US disclosed
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